BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 228010 O=C1Nc2ccccc2C1=O InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) JXDYKVIHCLTXOP-UHFFFAOYSA-N 11022 2,3-dihydro-1H-indole-2,3-dione::CHEMBL326294::Isatin::Isatin (Compound 1) Secreted chorismate mutase 1.08e+3 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11022&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search ISN 1OJA,5OJI,5RTF,2XFP,2BK5,6AF9,6AF5,6AFA,6AFB,5PH6 7054 46509351 27539 CHEMBL326294 DB02095 C11129 ZINC02047514 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228011 CN1C(=O)C(=O)c2ccccc12 InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3 VCYBVWFTGAZHGH-UHFFFAOYSA-N 10304 1-methyl-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60569::Isatin analog 8::N‐methylindol‐2,3‐dione (Compound 2) Secreted chorismate mutase 1.96e+3 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10304&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 72V 6TSE,6AFG,5PH7 16358 46510931 CHEMBL60569 ZINC01675288 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228012 CCN1C(=O)C(=O)c2ccccc12 InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3 ORYSFKVWQQMDAX-UHFFFAOYSA-N 108065 1‐ethylindole‐2,3‐dione (Compound 3) Secreted chorismate mutase 2.270e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108065&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 73D 6AFI 316076 186524935 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228013 CC(C)N1C(=O)C(=O)c2ccccc12 InChI=1S/C11H11NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3 QBLFUHJXULERAQ-UHFFFAOYSA-N 108066 1‐isopropylindole‐2,3‐dione (Compound 4) Secreted chorismate mutase 7.512e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108066&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 2055049 186524936 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228014 C=CCN1C(=O)C(=O)c2ccccc12 InChI=1S/C11H9NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h2-6H,1,7H2 ZWNYDPBLEDGGQD-UHFFFAOYSA-N 108067 1‐(prop‐2‐en‐1‐yl)indole‐2,3‐dione (Compound 5) Secreted chorismate mutase 9.656e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108067&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 1713563 186524937 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228015 O=C1N(c2ccccc2C1=O)c1ccccc1 InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H UWCPWBIMRYXUOU-UHFFFAOYSA-N 22793 1‐phenylindole‐2,3‐dione (Compound 6)::1-phenyl-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 13 Secreted chorismate mutase 2.330e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22793&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 12884 49846607 ZINC01657403 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228016 CC(=O)N1C(=O)C(=O)c2ccccc12 InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3 LPGDEHBASRKTDG-UHFFFAOYSA-N 22787 1-acetyl-2,3-dihydro-1H-indole-2,3-dione::Acetylisatin (Compound 7)::Isatin-based compound, 7 Secreted chorismate mutase 9.9e+2 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=22787&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 11321 49846601 16050 C02172 ZINC01529372 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228017 CC(C)(C)C(=O)N1C(=O)C(=O)c2ccccc12 InChI=1S/C13H13NO3/c1-13(2,3)12(17)14-9-7-5-4-6-8(9)10(15)11(14)16/h4-7H,1-3H3 USPRGZWPOZXNDI-UHFFFAOYSA-N 108068 1‐(2,2‐dimethylpropanoyl)indole‐2,3‐dione (Compound 8) Secreted chorismate mutase 4.100e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108068&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982370 186524938 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228018 NNC(=S)N=C1C(=O)Nc2ccccc12 InChI=1S/C9H8N4OS/c10-13-9(15)12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4H,10H2,(H2,11,12,13,14,15) HYRQWDQFFWMKJJ-UHFFFAOYSA-N 108069 3‐amino‐1‐[(3Z)‐2‐oxo‐1H‐indol‐3‐ylidene]thiourea (Compound 9) Secreted chorismate mutase 6.690e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108069&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982371 186524939 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228019 NNC(=O)\N=C1/C(=O)Nc2ccccc12 InChI=1S/C9H8N4O2/c10-13-9(15)12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4H,10H2,(H2,11,12,13,14,15) HYOUODSLCVIIAR-UHFFFAOYSA-N 108070 3‐amino‐1‐[(3Z)‐2‐oxo‐1H‐indol‐3‐ylidene]urea (Compound 10) Secreted chorismate mutase 5.409e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108070&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982372 186524940 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228020 CC(=O)n1c(O)c(NC(=S)N=N)c2ccccc12 InChI=1S/C11H10N4O2S/c1-6(16)15-8-5-3-2-4-7(8)9(10(15)17)13-11(18)14-12/h2-5,12,17H,1H3,(H,13,18) VTSCBPNJGFCMCZ-UHFFFAOYSA-N 108071 1‐[(3Z)‐1‐acetyl‐2‐oxoindol‐3‐ylidene]‐3‐ aminothiourea (Compound 11) Secreted chorismate mutase 3.050e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108071&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982373 186524941 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228021 CC(=O)N1C(=O)C(=NC(=O)NN)c2ccccc12 InChI=1S/C11H10N4O3/c1-6(16)15-8-5-3-2-4-7(8)9(10(15)17)13-11(18)14-12/h2-5H,12H2,1H3,(H,14,18) IZKCOVACKVHRPW-UHFFFAOYSA-N 108072 1‐[(3Z)‐1‐acetyl‐2‐oxoindol‐3‐ylidene]‐3‐aminourea (Compound 12) Secreted chorismate mutase 2.500e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108072&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982374 186524942 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228022 [O-][N+](=O)c1cnc(\N=C2/C(=O)Nc3ccccc23)s1 InChI=1S/C11H6N4O3S/c16-10-9(6-3-1-2-4-7(6)13-10)14-11-12-5-8(19-11)15(17)18/h1-5H,(H,12,13,14,16) MTMJUQDUKPAOOS-UHFFFAOYSA-N 108073 (3Z)‐3‐[(5‐nitro‐1,3‐thiazol‐2‐yl)imino]‐1H‐indol‐2‐ one (Compound 13) Secreted chorismate mutase >1.00e+5 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108073&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982375 186524943 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228023 [O-][N+](=O)c1ccc2nc(\N=C3/C(=O)Nc4ccccc34)sc2c1 InChI=1S/C15H8N4O3S/c20-14-13(9-3-1-2-4-10(9)16-14)18-15-17-11-6-5-8(19(21)22)7-12(11)23-15/h1-7H,(H,16,17,18,20) CYBLDDADASMXMC-UHFFFAOYSA-N 108074 (3Z)‐3‐[(6‐nitro‐1,3‐benzothiazol‐2‐yl)imino]‐1H‐ indol‐2‐one (Compound 14) Secreted chorismate mutase >1.00e+5 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108074&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982376 186524944 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228024 O=NC1C(=O)Nc2ccccc12 InChI=1S/C8H6N2O2/c11-8-7(10-12)5-3-1-2-4-6(5)9-8/h1-4,7H,(H,9,11) ZOZQHKVBMVLWAJ-UHFFFAOYSA-N 108075 (3Z)‐3‐(hydroxyimino)‐1H‐indol‐2‐one (Compound 15) Secreted chorismate mutase 9.814e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108075&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 57152825 186524945 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228025 O=C1Nc2ccc(cc2C1=O)-c1ccccc1 InChI=1S/C14H9NO2/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)15-14(13)17/h1-8H,(H,15,16,17) SCYQIRIBDBKXGG-UHFFFAOYSA-N 50334290 5‐phenyl‐1H‐indole‐2,3‐dione (Compound 16)::5-Phenylisatin::CHEMBL1642676 Secreted chorismate mutase 3.710e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334290&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 14810157 125084392 CHEMBL1642676 ZINC16948211 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228026 Clc1cccc(c1Cl)-c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C14H7Cl2NO2/c15-10-3-1-2-8(12(10)16)7-4-5-11-9(6-7)13(18)14(19)17-11/h1-6H,(H,17,18,19) QVDVQADFVZVMLS-UHFFFAOYSA-N 108076 5‐(2,3‐dichlorophenyl)‐1H‐indole‐2,3‐dione (Compound 17) Secreted chorismate mutase 9.570e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108076&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982377 186524946 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228027 Cc1ccc(C)c(c1)-c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C16H13NO2/c1-9-3-4-10(2)12(7-9)11-5-6-14-13(8-11)15(18)16(19)17-14/h3-8H,1-2H3,(H,17,18,19) VYKJPQVTPFMFTF-UHFFFAOYSA-N 108077 5‐(2,5‐dimethylphenyl)‐1H‐indole‐2,3‐dione (Compound 18) Secreted chorismate mutase 3.650e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108077&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982378 186524947 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228028 O=C1Nc2ccc(cc2C1=O)N1CCNCC1 InChI=1S/C12H13N3O2/c16-11-9-7-8(15-5-3-13-4-6-15)1-2-10(9)14-12(11)17/h1-2,7,13H,3-6H2,(H,14,16,17) VPQHXHQBQSADIF-UHFFFAOYSA-N 108078 5‐(piperazin‐1‐yl)‐1H‐indole‐2,3‐dione (Compound 19) Secreted chorismate mutase 3.990e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108078&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982379 186524948 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228029 CN1CCN(CC1)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C13H15N3O2/c1-15-4-6-16(7-5-15)9-2-3-11-10(8-9)12(17)13(18)14-11/h2-3,8H,4-7H2,1H3,(H,14,17,18) FXLKEKQTAQLTJB-UHFFFAOYSA-N 108079 5‐(4‐methylpiperazin‐1‐yl)‐1H‐indole‐2,3‐dione (Compound 20) Secreted chorismate mutase 3.190e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108079&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982380 186524949 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228030 FC(F)(F)c1cccc(c1)N1CCN(CC1)c1ccc2NC(=O)C(=O)c2c1 InChI=1S/C19H16F3N3O2/c20-19(21,22)12-2-1-3-13(10-12)24-6-8-25(9-7-24)14-4-5-16-15(11-14)17(26)18(27)23-16/h1-5,10-11H,6-9H2,(H,23,26,27) CMGIPIKYBZTHFY-UHFFFAOYSA-N 108080 5‐{4‐[3‐(trifluoromethyl)phenyl]piperazin‐1‐yl}‐1H‐ indole‐2,3‐dione (Compound 21) Secreted chorismate mutase 5.570e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108080&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982381 186524950 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228031 O=C1Nc2ccc(cc2C1=O)N1CCCCC1 InChI=1S/C13H14N2O2/c16-12-10-8-9(15-6-2-1-3-7-15)4-5-11(10)14-13(12)17/h4-5,8H,1-3,6-7H2,(H,14,16,17) XRVDMEXVXBUDRP-UHFFFAOYSA-N 108081 5‐(piperidin‐1‐yl)‐1H‐indole‐2,3‐dione (Compound 22) Secreted chorismate mutase 2.560e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108081&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 16795952 186524951 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228032 O=C(N1CCN(CC1)c1ccc2NC(=O)C(=O)c2c1)c1ccco1 InChI=1S/C17H15N3O4/c21-15-12-10-11(3-4-13(12)18-16(15)22)19-5-7-20(8-6-19)17(23)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,18,21,22) SQLHGOJAEPSBIN-UHFFFAOYSA-N 108082 5‐[4‐(furan‐2‐carbonyl)piperazin‐1‐yl]‐1H‐indole‐ 2,3‐dione (Compound 23) Secreted chorismate mutase 2.880e+4 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108082&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982382 186524952 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228033 [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1 InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9- WPZSQSSOBHCYOZ-LCYFTJDESA-N 108083 3-(4-nitrobenzylidene)indolin-2-one (Compound 24) Secreted chorismate mutase 1.01e+3 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108083&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 5928757 186524953 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 228034 [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)s1 InChI=1S/C13H8N2O3S/c16-13-10(9-3-1-2-4-11(9)14-13)7-8-5-6-12(19-8)15(17)18/h1-7H,(H,14,16)/b10-7- AUAHMFNEVSFPBU-YFHOEESVSA-N 108084 3-((5-nitrothiophen-2-yl)methylene)indolin-2-one (Compound 25) Secreted chorismate mutase 9.3e+2 37.00 C Curated from the literature by BindingDB 10.1111/cbdd.12265 10.7270/Q2F76B65 24636345 aid1800202 Jeankumar, VU; Alokam, R; Sridevi, JP; Suryadevara, P; Matikonda, SS; Peddi, S; Sahithi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108084&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 74982383 186524954 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433141 CC(C)c1ccc(C)c(O)c1 InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 RECUKUPTGUEGMW-UHFFFAOYSA-N 50240433 5-Isopropyl-2-methyl-phenol::CARVACROL::CHEMBL281202 Secreted chorismate mutase 1.06e+3 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240433 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240433&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search S5V 8BXW 10364 104098282 3440 CHEMBL281202 2497 C09840 ZINC00967563 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433142 CC(C)c1ccc(C)cc1O InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 MGSRCZKZVOBKFT-UHFFFAOYSA-N 50240432 1-hydroxy-5-methyl-2-isopropylbenzene::2-isopropyl-5-methylphenol::3-p-cymenol::5-methyl-2-(propan-2-yl)phenol::5-methyl-2-isopropylphenol::6-isopropyl-3-methylphenol::6-isopropyl-m-cresol::CHEMBL29411::thymol Secreted chorismate mutase 2.84e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50240432 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50240432&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search IPB 7T9C,8BXV,1E06,7SJF 6989 104098281 27607 CHEMBL29411 DB02513 2499 C09908 ZINC00967597 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433143 CC(C)C1CCC(C)CC1O InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3 NOOLISFMXDJSKH-UHFFFAOYSA-N 248162 Menthol Secreted chorismate mutase 2.638e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248162&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 1254 346542691 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433144 CC1CCC(C(O)C1)C(C)=C InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3 ZYTMANIQRDEHIO-UHFFFAOYSA-N 248163 (±)Neo isopulegol Secreted chorismate mutase 1.363e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248163&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 24585 346542692 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433145 COc1cc(CC=C)ccc1O InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 RRAFCDWBNXTKKO-UHFFFAOYSA-N 50164168 1,3,4-Eugenol::1-Hydroxy-2-methoxy-4-allylbenzene::1-Hydroxy-2-methoxy-4-prop-2-enylbenzene::1-Hydroxy-2-methoxy-4-propenylbenzene::1-allyl-3-methoxy-4-hydroxybenzene::1-allyl-4-hydroxy-3-methoxybenzene::2-Hydroxy-5-allylanisole::2-Methoxy-1-hydroxy-4-allylbenzene::2-Methoxy-4-allylphenol::2-Methoxy-4-prop-2-enylphenol::2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol::4-Allyl-1-hydroxy-2-methoxybenzene::4-Allylcatechol-2-methyl ether::4-Allylguaiacol::4-Hydroxy-3-methoxy-1-allylbenzene::Allylguaiacol::CHEMBL42710::Caryophyllic acid::Eugenic acid::Eugenol::p-Allylguaiacol::p-Eugenol Secreted chorismate mutase 2.858e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164168&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search EOL 7LID,7YWU,7YWV,3S0E 3314 104050049 4917 CHEMBL42710 DB09086 2425 C10453 ZINC00001411 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433146 COc1cc(C=O)ccc1O InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 MWOOGOJBHIARFG-UHFFFAOYSA-N 50177405 3-methoxy-4-hydroxybenzaldehyde::4-hydroxy-3-methoxybenzaldehyde::4-hydroxy-m-anisaldehyde::CHEMBL13883::p-hydroxy-m-methoxybenzaldehyde::p-vanillin::vanillin Secreted chorismate mutase 2.48e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50177405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50177405&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search V55 2VSU,2VSS,5OMR,6XM9,7R0S,7R0U,7XWV,5J55,4RGS,6HOU,6HOP,6YCT,6YCK,6YCL,6YCM,5FXP 1183 104062873 18346 CHEMBL13883 6412 C00755 ZINC02567933 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433147 CC(C)c1cc(C)cc(O)c1 InChI=1S/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3 ZDUIHRJGDMTBEX-UHFFFAOYSA-N 248164 Carvacrol derivative, 7 Secreted chorismate mutase 2.677e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248164&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 72855 346542693 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433148 CC(C)c1ccc(C)cc1 InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 HFPZCAJZSCWRBC-UHFFFAOYSA-N 248165 Carvacrol derivative, 8 Secreted chorismate mutase 1.16e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248165&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search ML 3MNN,3O7S,7SJE 7463 346542694 C06575 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433149 Cc1ccccc1O InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 QWVGKYWNOKOFNN-UHFFFAOYSA-N 248166 Carvacrol derivative, 9 Secreted chorismate mutase 2.31e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248166&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 335 346542695 C01542 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433150 CC(C)c1cccc(O)c1 InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3 VLJSLTNSFSOYQR-UHFFFAOYSA-N 248167 Carvacrol derivative, 10 Secreted chorismate mutase 2.14e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248167&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 12059 346542696 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433151 CC(C)c1cc(O)c(C)cc1Cl InChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3 AFFXNOIULZQAML-UHFFFAOYSA-N 248168 Carvacrol derivative, 15 Secreted chorismate mutase 1.37e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248168&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 21874 346542697 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433152 CC(C)c1ccc(C)cc1OC(C)=O InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3 WFMIUXMJJBBOGJ-UHFFFAOYSA-N 248169 Thymol derivative, 17 Secreted chorismate mutase 4.08e+3 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248169&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 68252 346542698 C09909 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 433153 COc1cc(C)ccc1C(C)C InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3 LSQXNMXDFRRDSJ-UHFFFAOYSA-N 248170 Thymol derivative, 21 Secreted chorismate mutase 2.158e+4 7.5 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.823958 10.7270/Q2MW2G15 24090423 aid1803444 Alokam, R; Jeankumar, VU; Sridevi, JP; Matikonda, SS; Peddi, S; Alvala, M; Yogeeswari, P; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=248170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=248170&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 14104 346542699 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 50503319 CNc1ccc(cc1[N+]([O-])=O)C(=O)OC InChI=1S/C9H10N2O4/c1-10-7-4-3-6(9(12)15-2)5-8(7)11(13)14/h3-5,10H,1-2H3 RUJMPEWZLDVEAV-UHFFFAOYSA-N 50209966 CHEMBL242816::methyl 4-(methylamino)-3-nitrobenzoate Secreted chorismate mutase 28800 ChEMBL 10.1016/j.bmcl.2007.03.053 10.7270/Q2028R7K 17418569 Agrawal, H; Kumar, A; Bal, NC; Siddiqi, MI; Arora, A Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209966&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 7650848 104086612 CHEMBL242816 ZINC05363664 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 50503320 COc1ccc(CCNc2c(cc(cc2S(N)(=O)=O)C(O)=O)[N+]([O-])=O)cc1OC InChI=1S/C17H19N3O8S/c1-27-13-4-3-10(7-14(13)28-2)5-6-19-16-12(20(23)24)8-11(17(21)22)9-15(16)29(18,25)26/h3-4,7-9,19H,5-6H2,1-2H3,(H,21,22)(H2,18,25,26) MVDGTXRZTZNCEM-UHFFFAOYSA-N 50209967 4-[2-(3,4-dimethoxy-phenyl)-ethylamino]-3-nitro-5-sulfamoyl-benzoic acid::CHEMBL396982 Secreted chorismate mutase 5700 ChEMBL 10.1016/j.bmcl.2007.03.053 10.7270/Q2028R7K 17418569 Agrawal, H; Kumar, A; Bal, NC; Siddiqi, MI; Arora, A Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209967&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 12591394 104086613 CHEMBL396982 ZINC28818155 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 50503321 COc1cc(\C=C(/C(O)=O)c2ccc(Cl)cc2)c(cc1OC)[N+]([O-])=O InChI=1S/C17H14ClNO6/c1-24-15-8-11(14(19(22)23)9-16(15)25-2)7-13(17(20)21)10-3-5-12(18)6-4-10/h3-9H,1-2H3,(H,20,21)/b13-7- GJOOVCUVZFWBJW-QPEQYQDCSA-N 50209968 (Z)-2-(4-chlorophenyl)-3-(4,5-dimethoxy-2-nitrophenyl)acrylic acid::CHEMBL232427 Secreted chorismate mutase 17710 ChEMBL 10.1016/j.bmcl.2007.03.053 10.7270/Q2028R7K 17418569 Agrawal, H; Kumar, A; Bal, NC; Siddiqi, MI; Arora, A Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209968&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 12620308 104086614 CHEMBL232427 ZINC28818162 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 50503322 CC(C)CC(NC(=O)C1CSC(N1C(=O)OC(C)(C)C)c1ccccc1)C(O)=O InChI=1S/C21H30N2O5S/c1-13(2)11-15(19(25)26)22-17(24)16-12-29-18(14-9-7-6-8-10-14)23(16)20(27)28-21(3,4)5/h6-10,13,15-16,18H,11-12H2,1-5H3,(H,22,24)(H,25,26) PMHNFWJIPVUVTO-UHFFFAOYSA-N 50209969 2-(3-(tert-butoxycarbonyl)-2-phenylthiazolidine-4-carboxamido)-4-methylpentanoic acid::CHEMBL232622 Secreted chorismate mutase 21100 ChEMBL 10.1016/j.bmcl.2007.03.053 10.7270/Q2028R7K 17418569 Agrawal, H; Kumar, A; Bal, NC; Siddiqi, MI; Arora, A Central Drug Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50209969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50209969&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 44430383 104086615 CHEMBL232622 ZINC40587799 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7 50716865 Fc1cc2[nH]cc(-c3nc4ccccc4nc3Cl)c2cc1F InChI=1S/C16H8ClF2N3/c17-16-15(21-12-3-1-2-4-13(12)22-16)9-7-20-14-6-11(19)10(18)5-8(9)14/h1-7,20H FFXWDDMBUMVVFL-UHFFFAOYSA-N 50363851 CHEMBL1945938 Secreted chorismate mutase 19740 ChEMBL 10.1016/j.bmc.2012.01.012 10.7270/Q2222V6Q 22316553 Kumar, KS; Rambabu, D; Sandra, S; Kapavarapu, R; Krishna, GR; Basaveswara Rao, MV; Chatti, K; Reddy, CM; Misra, P; Pal, M University of Hyderabad Campus http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50363851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5845&target=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50363851&enzyme=Secreted+chorismate+mutase&column=ki&startPg=0&Increment=50&submit=Search 57345606 136967913 CHEMBL1945938 ZINC73199587 1 MLTRPREIYLATAVSIGILLSLIAPLGPPLARADGTSQLAELVDAAAERLEVADPVAAFKWRAQLPIEDSGRVEQQLAKLGEDARSQHIDPDYVTRVFDDQIRATEAIEYSRFSDWKLNPASAPPEPPDLSASRSAIDSLNNRMLSQIWSHWSLLSAPSCAAQLDRAKRDIVRSRHLDSLYQRALTTATQSYCQALPPA 2AO2,2F6L,2FP1,2FP2 Secreted chorismate mutase SCMU_MYCTU P9WIB9 L0T9J1 O07746 Q7D7U7